[3-[(6-phenylpyrimidin-4-yl)amino]phenyl] 2-butyl-1,3-bis(oxidanylidene)isoindole-5-carboxylate

Systemtic Name: [3-[(6-phenylpyrimidin-4-yl)amino]phenyl] 2-butyl-1,3-bis(oxidanylidene)isoindole-5-carboxylate Openeye Name: [3-[(6-phenylpyrimidin-4-yl)amino]phenyl] 2-butyl-1,3-dioxo-isoindoline-5-carboxylate CAS Name: 2-butyl-1,3-dioxo-5-isoindolecarboxylic acid [3-[(6-phenyl-4-pyrimidinyl)amino]phenyl] ester IUPAC Name: [3-[(6-phenylpyrimidin-4-yl)amino]phenyl] 2-butyl-1,3-dioxoisoindole-5-carboxylate Traditional Name: 2-butyl-1,3-diketo-isoindoline-5-carboxylic acid [3-[(6-phenylpyrimidin-4-yl)amino]phenyl] ester Formula: C29H24N4O4 MolecularWeight: 492.52526

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)OC3=CC=CC(=C3)NC4=NC=NC(=C4)C5=CC=CC=C5

Isomeric SMILES

CCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)OC3=CC=CC(=C3)NC4=NC=NC(=C4)C5=CC=CC=C5

InChI

InChI=1S/C29H24N4O4/c1-2-3-14-33-27(34)23-13-12-20(15-24(23)28(33)35)29(36)37-22-11-7-10-21(16-22)32-26-17-25(30-18-31-26)19-8-5-4-6-9-19/h4-13,15-18H,2-3,14H2,1H3,(H,30,31,32)